N-[(Z)-furan-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C16H21N7O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-furan-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C16H21N7O |
| Smiles | C(CC1)CN1c1nc(N/N=C\c2ccco2)nc(N2CCCC2)n1 |
| InChI | InChI=1S/C16H21N7O/c1-2-8-22(7-1)15-18-14(21-17-12-13-6-5-11-24-13)19-16(20-15)23-9-3-4-10-23/h5-6,11-12H,1-4,7-10H2,(H,18,19,20,21) |
| InChIK | IIXBKVUZERGDNJ-UHFFFAOYSA-N |
| TotalMolweight | 327.391 |
| Molweight | 327.391 |
| MonoisotopicMass | 327.180758 |
| CLogP | 4.4332 |
| CLogS | -4.461 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 258.89 |
| Relative PSA | 0.29777 |
| PolarSurfaceArea | 82.68 |
| Druglikeness | 3.7101 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-furan-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-furan-2-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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